S-[4-[3,3-dimethylbutanoyl-(propanoylamino)amino]phenyl] (E)-octadec-9-enethioate

Systemtic Name: S-[4-[3,3-dimethylbutanoyl-(propanoylamino)amino]phenyl] (E)-octadec-9-enethioate Openeye Name: S-[4-[3,3-dimethylbutanoyl-(propanoylamino)amino]phenyl] (E)-octadec-9-enethioate CAS Name: (E)-9-octadecenethioic acid S-[4-[(3,3-dimethyl-1-oxobutyl)-(1-oxopropylamino)amino]phenyl] ester IUPAC Name: S-[4-[3,3-dimethylbutanoyl-(propanoylamino)amino]phenyl] (E)-octadec-9-enethioate Traditional Name: (E)-octadec-9-enethioic acid S-[4-[3,3-dimethylbutanoyl(propionamido)amino]phenyl] ester Formula: C33H54N2O3S MolecularWeight: 558.85846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)SC1=CC=C(C=C1)N(C(=O)CC(C)(C)C)NC(=O)CC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)SC1=CC=C(C=C1)N(C(=O)CC(C)(C)C)NC(=O)CC

InChI

InChI=1S/C33H54N2O3S/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-32(38)39-29-25-23-28(24-26-29)35(34-30(36)7-2)31(37)27-33(3,4)5/h14-15,23-26H,6-13,16-22,27H2,1-5H3,(H,34,36)/b15-14+